Dipropyl phthalate - CAS 131-16-8

Name: Dipropyl phthalate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007263
Product Name:	Dipropyl phthalate
CAS:	131-16-8
Synonyms:	dipropyl benzene-1,2-dicarboxylate
Application:	Used to make plasticizers and plastics and for laboratory applications.

Technical Data

IUPAC Name:	dipropyl benzene-1,2-dicarboxylate
Description:	Plasticizer.
Molecular Weight:	250.29
Molecular Formula:	C14H18O4
Canonical SMILES:	CCCOC(=O)C1=CC=CC=C1C(=O)OCCC
InChI:	InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
InChI Key:	MQHNKCZKNAJROC-UHFFFAOYSA-N
Boiling Point:	317.5 °C (lit.)
Flash Point:	228.2 °F
Purity:	95 %
Density:	1.078 g/mL at 25°C(lit.)
Solubility:	Soluble in chloroform, methanol
Appearance:	Clear colorless liquid
MDL:	MFCD00009371
LogP:	2.82020
Refractive Index:	n20/D 1.497 (lit.)
Vapor Pressure:	0.000132 [mmHg]

GHS Hazard Statement:	H351 (67.16%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement:	P201, P202, P273, P281, P308+P313, P391, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
28927721	20180201	Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay	Toxicology in vitro : an international journal published in association with BIBRA
27432241	20160101	Cytochrome P450-inhibitory activity of parabens and phthalates used in consumer products	The Journal of toxicological sciences
25938866	20150615	Structure-dependent activity of phthalate esters and phthalate monoesters binding to human constitutive androstane receptor	Chemical research in toxicology
23843199	20140701	Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor α, β, γ subtypes: an in silico approach	Journal of applied toxicology : JAT
22398195	20120701	Endocrine disruptors and asthma-associated chemicals in consumer products	Environmental health perspectives

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.12050905
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.12050905
Rotatable Bond Count:	8
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4